Geometry & MOs

Info

ID:	16468
PubChem CID:	470239
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	3.87
Dipole, Da:	3.27
IP(EA), eV:	-8.91(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-[[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]quinazolin-4-one

Drug info:

PubChemData

Smile

CSC1=NC2=CC=CC=C2C(=O)N1N=C3C4=CC=CC=C4N(C3=O)CN5CCOCC5

DOS

IR

Vibrations